BDBM72164 2-[3-[(3aS,6aS)-5-(4-fluorophenyl)-4,6-bis(oxidanylidene)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione::2-[3-[(3aS,6aS)-5-(4-fluorophenyl)-4,6-diketo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-3-keto-propyl]isoindoline-1,3-quinone::2-[3-[(3aS,6aS)-5-(4-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-3-oxopropyl]isoindole-1,3-dione::2-{3-[(3aS,6aS)-5-(4-Fluoro-phenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydro-pyrrolo[3,4-c]pyrazol-3-yl]-3-oxo-propyl}-isoindole-1,3-dione::MLS000589237::SMR000212730::cid_12004442

SMILES Oc1n(-c2ccc(F)cc2)c(=O)c2c([nH][nH]c12)C(=O)CCN1C(=O)c2ccccc2C1=O

InChI Key InChIKey=BTLUILXZYWMYFA-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 72164   

TargetXaa-Pro dipeptidase(Human)
Memorial Sloan-Kettering Cancer Center; Memorial Hospital for Cancer and Allied Diseases; Sloan-Kettering Institute for Cancer Research

US Patent
LigandChemical structure of BindingDB Monomer ID 72164BDBM72164(US20250368624, Compound CQ96)
Affinity DataIC50: 7.50E+3nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2026
Entry Details US Patent

TargetXaa-Pro aminopeptidase 1(Human)
Memorial Sloan-Kettering Cancer Center; Memorial Hospital for Cancer and Allied Diseases; Sloan-Kettering Institute for Cancer Research

US Patent
LigandChemical structure of BindingDB Monomer ID 72164BDBM72164(US20250368624, Compound CQ96)
Affinity DataIC50: 1.00E+4nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2026
Entry Details US Patent